fragmenstein/demo/mpro_mols/Mpro-6y2f.mol
RDKit 3D
43 46 0 0 0 0 0 0 0 0999 V2000
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8.5410 5.4110 23.2930 C 0 0 0 0 0 0 0 0 0 0 0 0
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6.6790 8.2170 21.4700 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9360 7.1120 23.5600 C 0 0 0 0 0 0 0 0 0 0 0 0
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11.0330 -1.5130 22.7930 C 0 0 0 0 0 0 0 0 0 0 0 0
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6.3630 -4.2020 20.4940 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5390 -4.0580 19.6100 O 0 0 0 0 0 0 0 0 0 0 0 0
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4.2780 -5.2540 22.8890 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.1780 -5.3510 24.1230 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1110 -5.9360 23.2610 C 0 0 0 0 0 0 0 0 0 0 0 0
2 1 2 0
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6 4 1 0
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11 10 2 0
12 9 2 0
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18 17 1 6
19 18 1 0
20 19 1 0
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21 16 1 0
22 21 2 0
23 21 1 0
24 23 1 0
24 25 1 6
26 25 1 6
27 26 1 0
28 27 2 0
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30 29 1 0
31 30 1 0
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32 24 1 0
32 33 1 1
34 32 1 0
35 34 2 0
36 34 1 0
37 36 1 0
38 37 1 0
39 38 2 0
40 39 1 0
41 40 2 0
42 41 1 0
43 42 2 0
43 38 1 0
M END